Variations of the Hartree–Fock fractional-spin error for one electron

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Authors: Hugh G. A. Burton, Clotilde Marut, Timothy J. Daas, Paola Gori-Giorgi, and Pierre-François Loos

Journal title: Journal of Chemical Physics

Journal number: 155

Journal publisher: American Institute of Physics

Published year: 2021

Published pages: 054107

DOI identifier: 10.1063/5.0056968

ISSN: 0021-9606